N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(trifluoromethyl)benzamide

C16H17F3N4O — CID 72718159

IUPACN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESCc1cc(N(C)C)nc(CNC(=O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C16H17F3N4O/c1-10-8-14(23(2)3)22-13(21-10)9-20-15(24)11-6-4-5-7-12(11)16(17,18)19/h4-8H,9H2,1-3H3,(H,20,24)
InChIKeyKNCGRLRBQMORAZ-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.80
Rot. Bonds4

About N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(trifluoromethyl)benzamide

N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(trifluoromethyl)benzamide (PubChem CID 72718159) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(trifluoromethyl)benzamide
PubChem CID72718159
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESCc1cc(N(C)C)nc(CNC(=O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C16H17F3N4O/c1-10-8-14(23(2)3)22-13(21-10)9-20-15(24)11-6-4-5-7-12(11)16(17,18)19/h4-8H,9H2,1-3H3,(H,20,24)
InChIKeyKNCGRLRBQMORAZ-UHFFFAOYSA-N
XLogP2.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(trifluoromethyl)benzamide (CID 72718159) is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(trifluoromethyl)benzamide is Cc1cc(N(C)C)nc(CNC(=O)c2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is KNCGRLRBQMORAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-10-8-14(23(2)3)22-13(21-10)9-20-15(24)11-6-4-5-7-12(11)16(17,18)19/h4-8H,9H2,1-3H3,(H,20,24).
What are the key properties of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(trifluoromethyl)benzamide?
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 338.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 72718159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).